6QF4

X-Ray structure of human Serine/Threonine Kinase 17B (STK17B) aka DRAK2 in complex with ADP obtained by on-chip soaking

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 41 2 2
Unit cell lengths	85.479, 85.479, 118.073
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.739 - 2.495
R-factor	0.1871
Rwork	0.183
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lm5
RMSD bond length	0.002
RMSD bond angle	0.476
Data reduction software	XDS
Data scaling software	Aimless (0.5.8)
Phasing software	PHASER
Refinement software	PHENIX (1.10.1-2155_9999)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.740	42.740	2.600
High resolution limit [Å]	2.495	9.000	2.500
Rmerge	0.107	0.063	0.493
Rmeas	0.113	0.067	0.522
Rpim	0.036	0.022	0.166
Number of reflections	15529	379	1743
<I/σ(I)>	14.7		5.3
Completeness [%]	98.6	95.3	99.6
Redundancy	9.3	8.3	9.7
CC(1/2)	0.997	0.997	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	295	0.2M ammonium acetate, 20% PEG 3350, 50mM sodium/potassium tartrate, 0.8mM quercetin